Geometry & MOs

Info

ID:	331045
PubChem CID:	127248452
Reduced:	SN4O4C22H30 (1)
Stoich.:	AB4C4D22E30 (1)
Weight, g/mol:	446.198777
ΔH_f, kcal/mol:	-133.21
Dipole, Da:	5.37
IP(EA), eV:	-9.09(-1.11)
Spin(S_z, S²):	None, None
Charge, e:	0

Chem-info

IUPAC name:

N-(2-hydroxyethyl)-3-[4-[2-(4-methylpiperidin-1-yl)acetyl]morpholin-2-yl]thieno[2,3-b]pyridine-2-carboxamide

Drug info:

PubChemData

Smile

CN(CCO)C(=O)C1=C(C2=C(S1)N=CC=C2)C3CN(CCO3)C(=O)CN4CCCCC4

DOS

IR

Vibrations